(1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-ene-1-carbaldehyde

C12H20O5 — CID 10728978

IUPAC(1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-ene-1-carbaldehyde
SMILESCOCOC[C@H]1[C@H](C=O)C=C[C@@H]1COCOC
InChIInChI=1S/C12H20O5/c1-14-8-16-6-11-4-3-10(5-13)12(11)7-17-9-15-2/h3-5,10-12H,6-9H2,1-2H3/t10-,11+,12-/m0/s1
InChIKeyRFUGDNQUVZORJV-TUAOUCFPSA-N
MW244.29 g/mol
LogP0.84
Rot. Bonds9

About (1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-ene-1-carbaldehyde

(1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-ene-1-carbaldehyde (PubChem CID 10728978) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is (1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-ene-1-carbaldehyde.

Molecular Properties

Compound Name(1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-ene-1-carbaldehyde
PubChem CID10728978
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name(1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-ene-1-carbaldehyde
SMILESCOCOC[C@H]1[C@H](C=O)C=C[C@@H]1COCOC
InChIInChI=1S/C12H20O5/c1-14-8-16-6-11-4-3-10(5-13)12(11)7-17-9-15-2/h3-5,10-12H,6-9H2,1-2H3/t10-,11+,12-/m0/s1
InChIKeyRFUGDNQUVZORJV-TUAOUCFPSA-N
XLogP0.84
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R,3S)-2-(methoxymethoxymethyl)cyclopent-4-ene-1,3-dicarbaldehyde
CID 10512153
(1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-ene-1-carboxylic acid
CID 10730035
2-[(1S,3R,3aR,4R,6aS)-1,3-dimethoxy-3,3a,4,6a-tetrahydro-1H-cyclopenta[c]furan-4-yl]acetaldehyde
CID 11310382
2-[(1S,3R)-1,3-dimethoxy-3,3a,4,6a-tetrahydro-1H-cyclopenta[c]furan-4-yl]acetaldehyde
CID 101332974

Frequently Asked Questions

What is the IUPAC name of (1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-ene-1-carbaldehyde?
The IUPAC name of (1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-ene-1-carbaldehyde (CID 10728978) is (1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-ene-1-carbaldehyde.
What is the SMILES notation for (1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-ene-1-carbaldehyde?
The canonical SMILES for (1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-ene-1-carbaldehyde is COCOC[C@H]1[C@H](C=O)C=C[C@@H]1COCOC.
What is the InChIKey of (1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-ene-1-carbaldehyde?
The InChIKey is RFUGDNQUVZORJV-TUAOUCFPSA-N. The full InChI is InChI=1S/C12H20O5/c1-14-8-16-6-11-4-3-10(5-13)12(11)7-17-9-15-2/h3-5,10-12H,6-9H2,1-2H3/t10-,11+,12-/m0/s1.
What are the key properties of (1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-ene-1-carbaldehyde?
(1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-ene-1-carbaldehyde has a molecular weight of 244.29 g/mol, XLogP of 0.84, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5R)-4,5-bis(methoxymethoxymethyl)cyclopent-2-ene-1-carbaldehyde is sourced from PubChem (CID 10728978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).